1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride

C15H26ClF3N4O3 — CID 120813720

IUPAC1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCN1CC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1=O.Cl
InChIInChI=1S/C15H25F3N4O3.ClH/c1-25-7-6-22-10-11(8-13(22)23)14(24)20-9-12(15(16,17)18)21-4-2-19-3-5-21;/h11-12,19H,2-10H2,1H3,(H,20,24);1H
InChIKeyLANYRQKSDOKYBF-UHFFFAOYSA-N
MW402.85 g/mol
LogP-0.14
Rot. Bonds7

About 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride

1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120813720) has the molecular formula C15H26ClF3N4O3 and a molecular weight of 402.85 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120813720
Molecular FormulaC15H26ClF3N4O3
Molecular Weight402.85 g/mol
Exact Mass402.16
IUPAC Name1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCN1CC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1=O.Cl
InChIInChI=1S/C15H25F3N4O3.ClH/c1-25-7-6-22-10-11(8-13(22)23)14(24)20-9-12(15(16,17)18)21-4-2-19-3-5-21;/h11-12,19H,2-10H2,1H3,(H,20,24);1H
InChIKeyLANYRQKSDOKYBF-UHFFFAOYSA-N
XLogP-0.14
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120813720) is 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is COCCN1CC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1=O.Cl.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LANYRQKSDOKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4O3.ClH/c1-25-7-6-22-10-11(8-13(22)23)14(24)20-9-12(15(16,17)18)21-4-2-19-3-5-21;/h11-12,19H,2-10H2,1H3,(H,20,24);1H.
What are the key properties of 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 402.85 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120813720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).